Effect of electron correlation on theoretical vibrational frequencies
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference28 articles.
1. Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives
2. Self‐Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants
3. PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first‐row and second‐row diatomic hydrides
4. PNO–CI and CEPA studies of electron correlation effects. IV. Ionization energies of the first and second row diatomic hydrides and the spectroscopic constants of their ions
5. PNO-CI and CEPA studies of electron correlation effects. VI. Electron affinities of the first-row and second-row diatomic hydrides and the spectroscopic constants of their negative ions
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